N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide

C14H13ClN2O3S — CID 32673196

IUPACN'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3S/c1-10-7-8-13(12(15)9-10)21(19,20)17-16-14(18)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,16,18)
InChIKeyQYJOWDYCKAPWLD-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.27
Rot. Bonds4

About N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide

N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide (PubChem CID 32673196) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
PubChem CID32673196
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3S/c1-10-7-8-13(12(15)9-10)21(19,20)17-16-14(18)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,16,18)
InChIKeyQYJOWDYCKAPWLD-UHFFFAOYSA-N
XLogP2.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide
CID 24629157
4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide
CID 26951527
4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide
CID 100820121
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 32681074
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282
N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
2-[(2-chloro-4-methylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793090
N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
CID 732337
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide?
The IUPAC name of N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide (CID 32673196) is N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide?
The canonical SMILES for N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide?
The InChIKey is QYJOWDYCKAPWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-10-7-8-13(12(15)9-10)21(19,20)17-16-14(18)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,16,18).
What are the key properties of N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide?
N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide has a molecular weight of 324.79 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 32673196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).